Theophylline, 8-((2-pyridylmethyl)thio)-2-thio-

CAS 6466-14-4 MFCD01682193

化学结构图

6466-14-4
SMILES: Cn1c(=O)c2nc(SCc3ccccn3)[nH]c2n(C)c1=S

化学属性

Mol. FormulaC13H13N5OS2
Mol. Weight319.43

别名和识别编码

Chemical NameTheophylline, 8-((2-pyridylmethyl)thio)-2-thio-
InChIKeyJEQRSEYZISVMFU-UHFFFAOYSA-N
Synonym 8-((2-Pyridylmethyl)thio)-2-thiotheophylline
Wiswesser Line NotationT56 BM DN FNYNVJ F1 GUS H1 CS1- BT6NJ
Beilstein Registry Number1156851
CAS Number6466-14-4
PubChem Substance ID97098
InChIInChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,15,16)
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安全信息

RTECSXH6496000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#06844

系列性分类

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